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Taraxerol
SpectraBase Compound ID 6lnUGnFUAQS
InChI InChI=1S/C30H50O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-24,31H,10-19H2,1-8H3/t20?,22?,23?,24-,27-,28-,29-,30+/m0/s1
InChIKey GGGUGZHBAOMSFJ-RDEULISKSA-N
Mol Weight 426.7 g/mol
Molecular Formula C30H50O
Exact Mass 426.386166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FCJvFr7rnUa
Name (3S,6aR,6aS,8aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol
Alternate Name(s) 3-Picenol, 1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-eicosahydro-4,4,6a,8a,11,11,12b,14b-octamethyl-, (3S,6aR,8aR,12bS,14bR)- Alnulin D-friedoolean-14-en-3-ol, (3beta)- Skimmiol Taraxerol Tiliadin
CAS Registry Number 127-22-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50O
InChI InChI=1S/C30H50O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-24,31H,10-19H2,1-8H3/t20?,22?,23?,24-,27-,28-,29-,30+/m0/s1
InChIKey GGGUGZHBAOMSFJ-RDEULISKSA-N
Molecular Weight 426.729 g/mol
SMILES O[C@@]1(C(C2CC[C@]3(C=4[C@](C5CC(C)(C)CC[C@@]5(CC4)C)(CCC3[C@]2(CC1)C)C)C)(C)C)[H]
SPLASH splash10-0udi-0191100000-c0792dad6166916f2281
Source of Spectrum QA-45-107-13
Wiley ID 862771